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Cover Image, Volume 117, Issue 17
Publication year - 2017
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.25267
Subject(s) - cover (algebra) , volume (thermodynamics) , image (mathematics) , surface (topology) , physics , ground state , separable space , theoretical physics , computer science , quantum mechanics , mathematics , geometry , mathematical analysis , mechanical engineering , engineering , artificial intelligence
Properties of atomic and molecular systems show remarkable changes when placed in a spatially limited region. In article e25399 by Olivares‐Pilón and Cruz, a Lagrange‐mesh approach is applied to find highly accurate solutions for the separable Schrödinger problem of one‐electron two center systems confined by a hard prolate spheroidal cavity. The cover image depicts the confined hydrogen molecular ion. The inner surface is the energy of the ground state as a function of the interproton distance R and the parameter xi=0 defining the eccentricity of the cavity. (DOI: 10.1002/qua.25399 ).